Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.55 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5475771 | 0.92 | HDAC6 (0.47) | HDAC6HDAC3NCOR2CYP1A2CYP3A4 | |
| SCHEMBL14168593 | 0.79 | HDAC1 (0.48) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL31244344 | 0.78 | NPC1 (0.47) | HDAC3CYP1A2HDAC1BLMPMP22 | |
| SCHEMBL5472171 | 0.77 | LOXL2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL5468313 | 0.76 | HDAC6 (0.47) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| Hydrochloric Acid SCHEMBL21803767 | 0.76 | BLM (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| Hydrochloric Acid SCHEMBL4815687 | 0.76 | LOXL2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19THPO | |
| SCHEMBL4818285 | 0.76 | SOST (0.59) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL5472162 | 0.76 | SOST (0.46) | HDAC6HDAC3NCOR2HDAC1HDAC8 | |
| SCHEMBL6449000 | 0.76 | CYP2C19 (0.75) | CYP1A2CYP3A4CYP2C9CYP2C19THPO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070105939-A1 | Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide | PHARMACYCLICS, INC. (US) | 2007-05-10 | — | — | US | claimed |
| US-20070105939-A1 | Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide | PHARMACYCLICS, INC. (US) | 2007-05-10 | — | — | US | disclosed |
| US-20070105939-A1 | Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide | PHARMACYCLICS, INC. (US) | 2007-05-10 | — | — | US | disclosed |
| US-20070105939-A1 | Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide | PHARMACYCLICS, INC. (US) | 2007-05-10 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070105939-A1 | Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide | HTR5A, HTR2B, HTR2A | HDAC6 615/4885HDAC3 1009/4885NCOR2 3345/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.